(2S,4R)-4-hexylpiperidine-2-carboxamide

C12H24N2O — CID 142863438

IUPAC(2S,4R)-4-hexylpiperidine-2-carboxamide
SMILESCCCCCC[C@@H]1CCN[C@H](C(N)=O)C1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-10-7-8-14-11(9-10)12(13)15/h10-11,14H,2-9H2,1H3,(H2,13,15)/t10-,11+/m1/s1
InChIKeyFDXFHKXBISZRDV-MNOVXSKESA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds6

About (2S,4R)-4-hexylpiperidine-2-carboxamide

(2S,4R)-4-hexylpiperidine-2-carboxamide (PubChem CID 142863438) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S,4R)-4-hexylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hexylpiperidine-2-carboxamide
PubChem CID142863438
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S,4R)-4-hexylpiperidine-2-carboxamide
SMILESCCCCCC[C@@H]1CCN[C@H](C(N)=O)C1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-10-7-8-14-11(9-10)12(13)15/h10-11,14H,2-9H2,1H3,(H2,13,15)/t10-,11+/m1/s1
InChIKeyFDXFHKXBISZRDV-MNOVXSKESA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-octylpiperidine-2-carboxamide
CID 106778464
4-hexyl-N,N-dimethylpiperidine-2-carboxamide
CID 106778401
N,N-diethyl-4-heptylpiperidine-2-carboxamide
CID 106778380
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
4-hexadecylpiperidine
CID 54096875
(2S)-4-ethylpyrrolidine-2-carboxamide
CID 130681578
N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005
4-decyl-1,1-dioxothiolane-2-carboxamide
CID 154270507
4-heptylpiperidine;methane
CID 144690559
(2R,4S)-piperidine-2,4-dicarboxamide
CID 95970376

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hexylpiperidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hexylpiperidine-2-carboxamide (CID 142863438) is (2S,4R)-4-hexylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hexylpiperidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hexylpiperidine-2-carboxamide is CCCCCC[C@@H]1CCN[C@H](C(N)=O)C1.
What is the InChIKey of (2S,4R)-4-hexylpiperidine-2-carboxamide?
The InChIKey is FDXFHKXBISZRDV-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-5-6-10-7-8-14-11(9-10)12(13)15/h10-11,14H,2-9H2,1H3,(H2,13,15)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-hexylpiperidine-2-carboxamide?
(2S,4R)-4-hexylpiperidine-2-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hexylpiperidine-2-carboxamide is sourced from PubChem (CID 142863438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).